Monomers

(E)-3-Bromoacrylic Acid

Identifiers

IUPAC name
(E)-3-bromoprop-2-enoic acid
InchI
InChI=1S/C3H3BrO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
InchI Key
POAWTYXNXPEWCO-OWOJBTEDSA-N
SMILES
OC(=O)/C=C/Br
Canonical SMILES
C(=CBr)C(=O)O
Isomeric SMILES
C(=C/Br)\C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C3H3BrO2
Heavy Atom Count
6
Molecular Weight
150.959
Exact Molecular Weight
149.9316
Valence Electrons
34
Radical Electrons
0
tPSA
37.3
MolLogP
0.9796
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.8420    0.2707    1.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9003   -0.2226    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437   -1.1201   -0.6774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4431    0.3258    0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3921   -0.1106   -0.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1644    0.6136   -0.5676 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8224    0.0361    0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6941    1.0869    0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1149   -0.8798   -1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  1  7  1  0
  4  8  1  0
  5  9  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers